N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

C25H27ClN2O4S — CID 1007780

IUPACN-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18(2)17-27-33(30,31)22-12-8-19(9-13-22)10-15-25(29)28-23-16-20(26)11-14-24(23)32-21-6-4-3-5-7-21/h3-9,11-14,16,18,27H,10,15,17H2,1-2H3,(H,28,29)
InChIKeyUCYDOYNTJYCSGW-UHFFFAOYSA-N
MW487.02 g/mol
LogP5.64
Rot. Bonds10

About N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 1007780) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID1007780
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18(2)17-27-33(30,31)22-12-8-19(9-13-22)10-15-25(29)28-23-16-20(26)11-14-24(23)32-21-6-4-3-5-7-21/h3-9,11-14,16,18,27H,10,15,17H2,1-2H3,(H,28,29)
InChIKeyUCYDOYNTJYCSGW-UHFFFAOYSA-N
XLogP5.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 1007780) is N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is UCYDOYNTJYCSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-18(2)17-27-33(30,31)22-12-8-19(9-13-22)10-15-25(29)28-23-16-20(26)11-14-24(23)32-21-6-4-3-5-7-21/h3-9,11-14,16,18,27H,10,15,17H2,1-2H3,(H,28,29).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 487.02 g/mol, XLogP of 5.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1007780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).